[4-[4-(oxan-4-ylidenemethyl)phenyl]oxan-4-yl]methanamine

C18H25NO2 — CID 136562184

IUPAC[4-[4-(oxan-4-ylidenemethyl)phenyl]oxan-4-yl]methanamine
SMILESNCC1(c2ccc(C=C3CCOCC3)cc2)CCOCC1
InChIInChI=1S/C18H25NO2/c19-14-18(7-11-21-12-8-18)17-3-1-15(2-4-17)13-16-5-9-20-10-6-16/h1-4,13H,5-12,14,19H2
InChIKeyZKUURHQPYADFAW-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.89
Rot. Bonds3

About [4-[4-(oxan-4-ylidenemethyl)phenyl]oxan-4-yl]methanamine

[4-[4-(oxan-4-ylidenemethyl)phenyl]oxan-4-yl]methanamine (PubChem CID 136562184) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is [4-[4-(oxan-4-ylidenemethyl)phenyl]oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-[4-(oxan-4-ylidenemethyl)phenyl]oxan-4-yl]methanamine
PubChem CID136562184
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name[4-[4-(oxan-4-ylidenemethyl)phenyl]oxan-4-yl]methanamine
SMILESNCC1(c2ccc(C=C3CCOCC3)cc2)CCOCC1
InChIInChI=1S/C18H25NO2/c19-14-18(7-11-21-12-8-18)17-3-1-15(2-4-17)13-16-5-9-20-10-6-16/h1-4,13H,5-12,14,19H2
InChIKeyZKUURHQPYADFAW-UHFFFAOYSA-N
XLogP2.89
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[4-(oxan-4-ylidenemethyl)phenyl]oxan-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[4-(oxan-4-ylidenemethyl)phenyl]oxan-4-yl]methanamine?
The IUPAC name of [4-[4-(oxan-4-ylidenemethyl)phenyl]oxan-4-yl]methanamine (CID 136562184) is [4-[4-(oxan-4-ylidenemethyl)phenyl]oxan-4-yl]methanamine.
What is the SMILES notation for [4-[4-(oxan-4-ylidenemethyl)phenyl]oxan-4-yl]methanamine?
The canonical SMILES for [4-[4-(oxan-4-ylidenemethyl)phenyl]oxan-4-yl]methanamine is NCC1(c2ccc(C=C3CCOCC3)cc2)CCOCC1.
What is the InChIKey of [4-[4-(oxan-4-ylidenemethyl)phenyl]oxan-4-yl]methanamine?
The InChIKey is ZKUURHQPYADFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c19-14-18(7-11-21-12-8-18)17-3-1-15(2-4-17)13-16-5-9-20-10-6-16/h1-4,13H,5-12,14,19H2.
What are the key properties of [4-[4-(oxan-4-ylidenemethyl)phenyl]oxan-4-yl]methanamine?
[4-[4-(oxan-4-ylidenemethyl)phenyl]oxan-4-yl]methanamine has a molecular weight of 287.40 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(oxan-4-ylidenemethyl)phenyl]oxan-4-yl]methanamine is sourced from PubChem (CID 136562184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).